N-[4-[(4-methoxyphenyl)methylamino]-2-methylquinazolin-6-yl]propanamide

C20H22N4O2 — CID 123471618

IUPACN-[4-[(4-methoxyphenyl)methylamino]-2-methylquinazolin-6-yl]propanamide
SMILESCCC(=O)Nc1ccc2nc(C)nc(NCc3ccc(OC)cc3)c2c1
InChIInChI=1S/C20H22N4O2/c1-4-19(25)24-15-7-10-18-17(11-15)20(23-13(2)22-18)21-12-14-5-8-16(26-3)9-6-14/h5-11H,4,12H2,1-3H3,(H,24,25)(H,21,22,23)
InChIKeyBJSXLRYKNQVULX-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.91
Rot. Bonds6

About N-[4-[(4-methoxyphenyl)methylamino]-2-methylquinazolin-6-yl]propanamide

N-[4-[(4-methoxyphenyl)methylamino]-2-methylquinazolin-6-yl]propanamide (PubChem CID 123471618) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[4-[(4-methoxyphenyl)methylamino]-2-methylquinazolin-6-yl]propanamide.

Molecular Properties

Compound NameN-[4-[(4-methoxyphenyl)methylamino]-2-methylquinazolin-6-yl]propanamide
PubChem CID123471618
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[4-[(4-methoxyphenyl)methylamino]-2-methylquinazolin-6-yl]propanamide
SMILESCCC(=O)Nc1ccc2nc(C)nc(NCc3ccc(OC)cc3)c2c1
InChIInChI=1S/C20H22N4O2/c1-4-19(25)24-15-7-10-18-17(11-15)20(23-13(2)22-18)21-12-14-5-8-16(26-3)9-6-14/h5-11H,4,12H2,1-3H3,(H,24,25)(H,21,22,23)
InChIKeyBJSXLRYKNQVULX-UHFFFAOYSA-N
XLogP3.91
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methoxyphenyl)methylamino]-2-methylquinazolin-6-yl]propanamide?
The IUPAC name of N-[4-[(4-methoxyphenyl)methylamino]-2-methylquinazolin-6-yl]propanamide (CID 123471618) is N-[4-[(4-methoxyphenyl)methylamino]-2-methylquinazolin-6-yl]propanamide.
What is the SMILES notation for N-[4-[(4-methoxyphenyl)methylamino]-2-methylquinazolin-6-yl]propanamide?
The canonical SMILES for N-[4-[(4-methoxyphenyl)methylamino]-2-methylquinazolin-6-yl]propanamide is CCC(=O)Nc1ccc2nc(C)nc(NCc3ccc(OC)cc3)c2c1.
What is the InChIKey of N-[4-[(4-methoxyphenyl)methylamino]-2-methylquinazolin-6-yl]propanamide?
The InChIKey is BJSXLRYKNQVULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-4-19(25)24-15-7-10-18-17(11-15)20(23-13(2)22-18)21-12-14-5-8-16(26-3)9-6-14/h5-11H,4,12H2,1-3H3,(H,24,25)(H,21,22,23).
What are the key properties of N-[4-[(4-methoxyphenyl)methylamino]-2-methylquinazolin-6-yl]propanamide?
N-[4-[(4-methoxyphenyl)methylamino]-2-methylquinazolin-6-yl]propanamide has a molecular weight of 350.42 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methoxyphenyl)methylamino]-2-methylquinazolin-6-yl]propanamide is sourced from PubChem (CID 123471618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).